(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4-(phenylsulfanylmethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

SpectraBase Compound ID	C0CMVCw6Bu8
InChI	InChI=1S/C34H50OS/c1-23(2)10-9-11-24(3)28-16-17-29-26-14-15-30-27(22-36-25-12-7-6-8-13-25)32(35)19-21-34(30,5)31(26)18-20-33(28,29)4/h6-8,12-13,23-24,26,28-29,31H,9-11,14-22H2,1-5H3/t24-,26+,28-,29+,31+,33-,34+/m1/s1
InChIKey	JYKGONWYHCILGX-WADYSFIGSA-N Google Search
Mol Weight	506.8 g/mol
Molecular Formula	C34H50OS
Exact Mass	506.358237 g/mol

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SpectraBase Spectrum ID	FigXvYfx8hx
Name	(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4-(phenylsulfanylmethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Alternate Name(s)	(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4-[(phenylthio)methyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one (8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-4-(phenylsulfanylmethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one (8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-4-[(phenylthio)methyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C34H50OS
InChI	InChI=1S/C34H50OS/c1-23(2)10-9-11-24(3)28-16-17-29-26-14-15-30-27(22-36-25-12-7-6-8-13-25)32(35)19-21-34(30,5)31(26)18-20-33(28,29)4/h6-8,12-13,23-24,26,28-29,31H,9-11,14-22H2,1-5H3/t24-,26+,28-,29+,31+,33-,34+/m1/s1
InChIKey	JYKGONWYHCILGX-WADYSFIGSA-N
Molecular Weight	506.833 g/mol
SMILES	C1(CC[C@]2(C(=C1CSc1ccccc1)CC[C@]1([C@@]3(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])C)=O
SPLASH	splash10-0002-0915010000-93f8a177de14ee4361ee
Source of Spectrum	F-50-12637-2
Wiley ID	790001